[1] [1] TERVO E J, STEINER M A. Semiconductordielectricmetal solar absorbers with high spectral selectivity［J］. Solar Energy Materials and Solar Cells, 2022, 240: 111735.

[2] [2] ZHANG X, WANG J C, ANG L K, et al. Designing fewlayer graphene Schottky contact solar cells: theoretical efficiency limits and parametric optimization［J］. Applied Physics Letters, 2021, 118(5): 053103.

[3] [3] LIU Y, ZHAO J, ZHANG S Y, et al. Advances and challenges of broadband solar absorbers for efficient solar steam generation［J］. Environmental Science: Nano, 2022, 9(7): 22642296.

[4] [4] POROSOFF M D, YANG X F, BOSCOBOINIK J A, et al. Molybdenum carbide as alternative catalysts to precious metals for highly selective reduction of CO2 to CO［J］. Angewandte Chemie International Edition, 2014, 53(26): 67056709.

[5] [5] LIAO L, WANG S N, XIAO J J, et al. A nanoporous molybdenum carbide nanowire as an electrocatalyst for hydrogen evolution reaction［J］. Energy & Environmental Science, 2014, 7(1): 387392.

[6] [6] TANG C Y, WANG W, SUN A K, et al. Sulfurdecorated molybdenum carbide catalysts for enhanced hydrogen evolution［J］. ACS Catalysis, 2015, 5(11): 69566963.

[7] [7] XU C, WANG L B, LIU Z B, et al. Largearea highquality 2D ultrathin Mo2C superconducting crystals［J］. Nature Materials, 2015, 14(11): 11351141.

[8] [8] FURIMSKY E. Metal carbides and nitrides as potential catalysts for hydroprocessing［J］. Applied Catalysis A: General, 2003, 240(1/2): 128.

[9] [9] ISAEV E I, AHUJA R, SIMAK S I, et al. Anomalously enhanced superconductivity and ab initio lattice dynamics in transition metal carbides and nitrides［J］. Physical Review B, 2005, 72(6): 064515.

[10] [10] WILLENS R H, BUEHLER E, MATTHIAS B T. Superconductivity of the transitionmetal carbides［J］. Physical Review, 1967, 159(2): 327330.

[11] [11] MORTON N, JAMES B W, WOSTENHOLM G H, et al. Superconductivity of molybdenum and tungsten carbides［J］. Journal of the Less Common Metals, 1971, 25(1): 97106.

[12] [12] AKR D, SEVIK C, G1/4LSEREN O, et al. Mo2C as a high capacity anode material: a firstprinciples study［J］. Journal of Materials Chemistry A, 2016, 4(16): 60296035.

[13] [13] SHI L, ZHAO T S, XU A, et al. Ab initio prediction of borophene as an extraordinary anode material exhibiting ultrafast directional sodium diffusion for sodiumbased batteries［J］. Science Bulletin, 2016, 61(14): 11381144.

[14] [14] NGUYEN D T, LE M Q. Mechanical properties of various twodimensional silicon carbide sheets: an atomistic study［J］. Superlattices and Microstructures, 2016, 98: 102115.

[15] [15] LE M Q, MORTAZAVI B, RABCZUK T. Mechanical properties of borophene films: a reactive molecular dynamics investigation［EB/OL］. 2017: arXiv: 1703.09058. https://arxiv.org/abs/1703.09058.

[16] [16] YORULMAZ U, ZDEN A, PERKGZ N K, et al. Vibrational and mechanical properties of single layer MXene structures: a firstprinciples investigation［J］. Nanotechnology, 2016, 27(33): 335702.

[17] [17] KUMAR R, RAJASEKARAN G, PARASHAR A. Optimised cutoff function for Tersofflike potentials for a BN nanosheet: a molecular dynamics study［J］. Nanotechnology, 2016, 27(8): 085706.

[18] [18] RAHAMAN O, MORTAZAVI B, DIANAT A, et al. A structural insight into mechanical strength of graphenelike carbon and carbon nitride networks［J］. Nanotechnology, 2017, 28(5): 055707.

[19] [19] ABADI R, UMA R P, IZADIFAR M, et al. The effect of temperature and topological defects on fracture strength of grain boundaries in singlelayer polycrystalline boronnitride nanosheet［J］. Computational Materials Science, 2016, 123: 277286.

[20] [20] LIU R, DU Q Q, ZHAO R H, et al. Ultrafine Mo2C nanoparticles confined in 2D meshlike carbon nanolayers for effective hydrogen evolution［J］. ChemCatChem, 2020, 12(12): 31953201.

[21] [21] VRUBEL H, HU X L. Growth and activation of an amorphous molybdenum sulfide hydrogen evolving catalyst［J］. ACS Catalysis, 2013, 3(9): 20022011.

[22] [22] MORTAZAVI B, SHAHROKHI M, MAKAREMI M, et al. Anisotropic mechanical and optical response and negative Poisson's ratio in Mo2C nanomembranes revealed by firstprinciples simulations［J］. Nanotechnology, 2017, 28(11): 115705.

[23] [23] KHALIL R M A, HUSSAIN M I, LUQMAN N, et al. DFTbased study of the structural, optoelectronic, mechanical and magnetic properties of Ti3AC2 (A=P, As, Cd) for coating applications［J］. RSC Advances, 2022, 12(7): 43954407.

[24] [24] WU H B, XIA B Y, YU L, et al. Porous molybdenum carbide nanooctahedrons synthesized via confined carburization in metalorganic frameworks for efficient hydrogen production［J］. Nature Communications, 2015, 6: 6512.

[25] [25] CHEN W F, WANG C H, SASAKI K, et al. Highly active and durable nanostructured molybdenum carbide electrocatalysts for hydrogen production［J］. Energy & Environmental Science, 2013, 6(3): 943951.

[26] [26] ADEWALE T, ORUH B. A theoretical and experimental study of the BroydenFletcherGoldfarbShano (BFGS) update［J］. Academic Journals, 2013,6(8): 166176.

[27] [27] KHALIL R M A, HUSSAIN M I, IMRAN M, et al. Firstprinciples simulation of structural, electronic and optical properties of cerium trisulfide (Ce2S3) compound［J］. Journal of Electronic Materials, 2021, 50(4): 16371643.

[28] [28] KHALIL R M A, HUSSAIN F, HUSSAIN M I, et al. The investigation of optoelectronic, magnetic and dynamical properties of Ce and Ti doped 2D blue phosphorene: a dispersion corrected DFT study［J］. Journal of Alloys and Compounds, 2020, 827: 154255.

[29] [29] SEGALL M D, LINDAN P J D, PROBERT M J, et al. Firstprinciples simulation: ideas, illustrations and the CASTEP code［J］. Journal of Physics: Condensed Matter, 2002, 14(11): 27172744.